General
Preferred name
ergometrine
Synonyms
ERGONOVINE ()
ERGONOVINE MALEATE ()
Ergostetrine ()
Ergometrine ()
Ergobasine ()
Ergotocine ()
NSC-93752 ()
Cornocentin ()
Ermetrine ()
Ergometrine hydrogen maleate ()
Ergometrini hydrogenomaleas ()
Ergometrine Maleate ()
Ergotrate ()
Ergotrate Maleate ()
P&D ID
PD009935
CAS
60-79-7
11002-48-5
Tags
natural product
drug
available
Drug Status
approved
Drug indication
Oxytocic
Postpartum haemorrhage
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Ergometrine is an ergot alkaloid which causes contraction of uterine and vascular smooth muscle cells acting through a variety of GPCRs (such as adrenoceptors, dopamine receptors, and 5-HT receptors).
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
12
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Molecular Weight
325.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
1.53
TPSA
68.36
Fraction CSP3
0.42
Chiral centers
3.0
Largest ring
6.0
QED
0.8
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Indication
postpartum hemorrhage (PPH)
Target
ADRA1A, HTR1E
MOA
adrenergic receptor agonist, serotonin receptor agonist
Therapeutic Class
Oxytocics
Source data
